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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 137.0 136.73137.0
2 D 124.9 125.27124.9
3 D 148.3 151.19148.3
4 D 152.5 150.05152.5
5 S 129.6 130.23129.6
6 S 170.6 169.71170.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 136.73 137.0137.0
2 D 125.27 124.9124.9
3 D 151.19 148.3148.3
4 D 150.05 152.5152.5
5 S 130.23 129.6129.6
6 S 169.71 170.6170.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 137.0 137.0136.73
2 D 124.9 124.9125.27
3 D 148.3 148.3151.19
4 D 152.5 152.5150.05
5 S 129.6 129.6130.23
6 S 170.6 170.6169.71





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 8.249
2-H 7.527
3-H 8.735
4-H 9.081
8-H 8.220, 7.670






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